ArticleHeliyon2021
Computational study to discover potent phytochemical inhibitors against drug target, squalene synthase from
Article in Heliyon, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
What it found
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Who cites it
9 citing papers in PubMed, 19 citations in OpenAlex.
- The design and synthesis of cysteine protease inhibitors containing isoxazole bearing warheads against Leishmania donovani.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Molecular docking: a computational approach for the discovery of novel targets against visceral leishmaniasis.Journal of molecular modeling · 2026Review
- Molecular docking ofIn silico pharmacology · 2025Article
- In silico identification of phytoconstituents fromIn silico pharmacology · 2025Article
- Inhibition of Monkeypox Virus DNA Polymerase UsingIndian journal of microbiology · 2024Article
- In Silico Analysis of the Apoptotic and HPV Inhibitory Roles of Some Selected Phytochemicals Detected from the Rhizomes of Greater Cardamom.Applied biochemistry and biotechnology · 2022Article
- Antistroke Network Pharmacological Prediction of Xiaoshuan Tongluo Recipe Based on Drug-Target Interaction Based on Deep Learning.Computational and mathematical methods in medicine · 2022Article
- Challenges and Tools for In VitroPathogens (Basel, Switzerland) · 2021Review
- Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
aimsThe parasite, MAIN
methodsMultiple sequence alignment was carried to detect conserved regions across squalene synthases from different KEY
findingsSeven phytochemicals displayed binding energies less than -9 kcal/mol hence demonstrating ability to be strongly bound to the active site of LdSQS to inhibit the enzymatic activity. Ancistrotanzanine B demonstrated the lowest binding affinity of -9.83 kcal/mol superior to reported inhibitors in literature. Conserved two aspartate rich regions and two signatory motifs were found in the SIGNIFICANCE: Based on the current study, these hits can be further structurally optimized and validated under laboratory conditions to develop antileishmanial drugs.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.